| Factor used to find the cutoff of the multigrids that where not given explicitly
|
| This optional keyword expects a real. Default value: 3.0000000000000000E+00
|
COMMENSURATE |
|
| commensurate
|
| If the grids should be commensurate. If true overrides the progression factor and the cutoffs of the sub grids
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
REALSPACE |
|
| realspace
|
| If both rho and rho_gspace are needed
|
| This optional keyword expects a logical |
| This keyword behaves as a switch T
. Default value: F
|
REL_CUTOFF |
|
| RELATIVE_CUTOFF real
|
| Determines the grid at which a Gaussian is mapped, giving the cutoff used for a gaussian with alpha=1
|
| This optional keyword expects a real. Default unit: [Ry], default value: 3.0000000000000000E+01
Ry |
| variants: RELATIVE_CUTOFF |
MULTIGRID_SET |
|
| MULTIGRID_SET
|
| Activate a manual setting of the multigrids
|
| This optional keyword expects a logical. Default value: F
|
MULTIGRID_CUTOFF |
|
| MULTIGRID_CUTOFF 200.0 100.0
|
| List of cutoff values to set up multigrids manually
|
| This optional keyword expects a list of reals |
| variants: CUTOFF_LIST |